Mrv1652309272007412D          

 11 12  0  0  0  0            999 V2000
 9999.5809 9998.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.0085 9999.4209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.869510000.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.105510000.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.575310001.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.579310001.0705    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.864810000.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.8648 9999.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.5793 9999.4206    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.2938 9999.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.293810000.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1  9  1  0  0  0  0
 10  2  2  0  0  0  0
 11  4  1  0  0  0  0
 11  5  1  0  0  0  0
  6  3  1  1  0  0  0
  9  3  1  1  0  0  0
M  END
> <DATABASE_ID>
CDB000070

> <DATABASE_NAME>
CDB

> <SMILES>
CC1(C)[C@H]2CC[C@](C)(C2)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m0/s1

> <INCHI_KEY>
LHXDLQBQYFFVNW-OIBJUYFYSA-N

> <FORMULA>
C10H16O

> <MOLECULAR_WEIGHT>
152.237

> <EXACT_MASS>
152.120115135

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
17.847558675408024

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one

> <ALOGPS_LOGP>
2.54

> <JCHEM_LOGP>
3.0649199539999996

> <ALOGPS_LOGS>
-2.24

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.5937409427587745

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
44.5438

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.83e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
fenchone, (+-)-

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000070

> <GENERIC_NAME>
Fenchone

$$$$